Shear-rate dependence of thermodynamic properties of the Lennard-Jones truncated and shifted fluid by molecular dynamics simulations

It was shown recently that using the two-gradient method, thermal, caloric, and transport properties of fluids under quasi-equilibrium conditions can be determined simultaneously from nonequilibrium molecular dynamics simulations. It is shown here that the influence of shear stresses on these properties can also be studied using the same method. The studied fluid is described by the Lennard-Jones truncated and shifted potential with the cut-off radius r*c = 2.5σ. For a given temperature T and density ρ, the influence of the shear rate on the following fluid properties is determined: pressure p, internal energy u, enthalpy h, isobaric heat capacity cp, thermal expansion coefficient αp, shear viscosity η, and self-diffusion coefficient D. Data for 27 state points in the range of T ∈ [0.7, 8.0] and ρ ∈ [0.3, 1.0] are reported for five different shear rates (γ ̇ ∈ [0.1,1.0]). Correlations for all properties are provided and compared with literature data. An influence of the shear stress on the fluid properties was found only for states with low temperature and high density. The shear-rate dependence is caused by changes in the local structure of the fluid which were also investigated in the present work. A criterion for identifying the regions in which a given shear stress has an influence on the fluid properties was developed. It is based on information on the local structure of the fluid. For the self-diffusivity, shear-induced anisotropic effects were observed and are discussed.

Flow and Yield Characteristics of Yield Stress Fluids Using Hysteresis Loop Test Below Slip Yield Point

The flow characteristics of angel O/W emulsion, which is a yield stress fluid, was investigated. The hysteresis loop test was conducted for the strain below the slip yield point, and the single relaxation Maxwell model was used to fit the experimental data. Using these methods, the shear-rate dependence, stress dependence, and time dependence of the viscoelastic properties of the sample were evaluated in the region below the slip yield point. The shear-rate dependence induced by the stress-ramp rate and the stress dependence from the maximum applied stress influence the viscoelastic characteristics below the slip yield point in terms of the flow history. However, the time dependence of the viscoelastic characteristics could not be confirmed for any creep time. The yield stress measured in the stress-ramp test increases with the stress-ramp rate owing to the contribution of the viscous strain from the flow history.